beta-Pinene


PubChem CID 14896
Molecular Formula C10H16
Structure Compound Image
Synonyms
BETA-PINENE
127-91-3
Pseudopinene
Nopinene
Terbenthene
Terebenthene
2(10)-Pinene
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
.beta.-Pinene
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
PINENE, BETA
Pin-2(10)-ene
Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-
Pseudopinen
Nopinen
Rosemarel
DTXSID7027049
CHEBI:50025
(-)-.beta.-Pinene
25719-60-2
beta-Pinene (natural)
DTXCID507049
6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane
NSC21447
NSC59190
NSC-21447
NSC-59190
NSC-406265
HSDB 5615
6,6-Dimethyl-2-methylenenorpinane
2(10)-Pinene, (1S,5S)-(-)-
EINECS 204-872-5
EINECS 245-424-9
UNII-4MS8VHZ1HJ
NSC 21447
AI3-24483
2,2,6-Trimethylbicyclo(3.1.1)hept-2-ene
6,6-Dimethyl-2-methylene-bicyclo(3.1.1)heptane
Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-
2,6-Trimethylbicyclo[3.1.1]hept-2-ene
Bicyclo[3.1.1]heptane,6-dimethyl-2-methylene-
6,6-dimethyl-2-methylidenebicyclo(3.1.1)heptane
(1)-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane
(1S)-(-)-.beta.-Pinene
beta pinene
PC-600
-Pinene
?-Pinene
L-.beta.-Pinene
beta-Pinene (pure)
laevo-.beta.-Pinene
(+/-)-beta-PINENE
beta-PINENE, (+/-)-
CHEMBL501351
.beta.-Pinene-(1S)-(-)
GTPL13237
Tox21_200029
(1r)-(+)-pin-2(10)-ene
MFCD00063635
NSC406265
AKOS004119987
AKOS016843693
DB15574
NCGC00248498-01
NCGC00257583-01
CAS-127-91-3
LS-13836
beta-Pinene 1000 microg/mL in Isopropanol
DB-041877
DB-065374
NS00003251
P0441
Beta -Pinene 1000 microg/mL in Isopropanol
EN300-95729
C09882
Q300928
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane-, (S)-
177698-19-0

Computed Descriptors


IUPAC Name 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
SMILES CC1(C2CCC(=C)C1C2)C
Canonical SMILES CC1(C2CCC(=C)C1C2)C
InChI InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
InChIKey WTARULDDTDQWMU-UHFFFAOYSA-N

Computed Properties

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Molecular Weight 136.23 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 136.125
Monoisotopic Mass 136.125
Topological Polar Surface Area 0
Heavy Atom Count 10
Formal Charge 0
Complexity 177
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1

0 pairs of Verified P450 and beta-Pinene


Insect Gene Symbol Validation Reference